Molecule

ID:95914

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₃NOS
Molecular Mass
259.2475296
Exact Mass
259.02786954
Charge
0
InChI
InChI=1S/C11H8F3NOS/c12-11(13,14)8-3-4-10(15-6-8)17-7-9-2-1-5-16-9/h1-6H,7H2
InChIKey
SEZXRVIMNNKJQT-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(nc1)SCc1ccco1)(F)F
Isomeric Smiles
n1c(ccc(c1)C(F)(F)F)SCc1ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.380873
LogD (pH = 7.4)
3.3811276
Log P
3.381131
Molar Refractivity
60.1539
Polarizability
21.956888
Polar Surface Area
26.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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